2-ethyl-1-[(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]-1-piperidyl]butan-1-one CAS Name: 2-ethyl-1-[(3S)-3-[[4-[(4-phenyl-1-piperidin-1-iumyl)methyl]phenoxy]methyl]-1-piperidinyl]-1-butanone IUPAC Name: 2-ethyl-1-[(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[(3S)-3-[[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]methyl]piperidino]butan-1-one Formula: C30H43N2O2+ MolecularWeight: 463.67462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCCC(C1)COC2=CC=C(C=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC(CC)C(=O)N1CCC[C@@H](C1)COC2=CC=C(C=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C30H42N2O2/c1-3-26(4-2)30(33)32-18-8-9-25(22-32)23-34-29-14-12-24(13-15-29)21-31-19-16-28(17-20-31)27-10-6-5-7-11-27/h5-7,10-15,25-26,28H,3-4,8-9,16-23H2,1-2H3/p+1/t25-/m0/s1