(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N,N-bis(prop-2-enyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N,N-bis(prop-2-enyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diallyl-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N,N-bis(prop-2-enyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N,N-bis(prop-2-enyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diallyl-1-(1-benzylpiperidin-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:

C=CCN(CC=C)C(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCN(CC=C)C(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H35N3O/c1-3-14-26(15-4-2)24(28)22-11-8-16-27(20-22)23-12-17-25(18-13-23)19-21-9-6-5-7-10-21/h3-7,9-10,22-23H,1-2,8,11-20H2/p+2/t22-/m0/s1