3-[(3R)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C27H38N4O+2 MolecularWeight: 434.61682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C27H36N4O/c1-23(20-24-8-3-2-4-9-24)21-29-15-7-10-25(22-29)12-13-27(32)31-18-16-30(17-19-31)26-11-5-6-14-28-26/h2-6,8-9,11,14,20,25H,7,10,12-13,15-19,21-22H2,1H3/p+2/b23-20+/t25-/m1/s1