(3S)-N-cyclopropyl-1-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C24H37N3O+2 MolecularWeight: 383.57008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C24H35N3O/c1-19(16-20-6-3-2-4-7-20)17-26-14-11-23(12-15-26)27-13-5-8-21(18-27)24(28)25-22-9-10-22/h2-4,6-7,16,21-23H,5,8-15,17-18H2,1H3,(H,25,28)/p+2/b19-16+/t21-/m0/s1