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

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(E)-3-(2-methoxyphenyl)allyl]-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[(E)-3-(2-methoxyphenyl)allyl]-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CCN2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

COC1=CC=CC=C1/C=C/CN2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C24H35N3O2/c1-29-23-9-3-2-6-19(23)7-4-14-26-16-12-22(13-17-26)27-15-5-8-20(18-27)24(28)25-21-10-11-21/h2-4,6-7,9,20-22H,5,8,10-18H2,1H3,(H,25,28)/p+1/b7-4+/t20-/m0/s1