(3S)-N-(1-phenylcyclopropyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(1-phenylcyclopropyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-(1-phenylcyclopropyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(1-phenylcyclopropyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(1-phenylcyclopropyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-(1-phenylcyclopropyl)piperidin-1-ium-3-carboxamide Formula: C23H37N3O+2 MolecularWeight: 371.55938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NC3(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NC3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H35N3O/c1-18(2)25-15-10-21(11-16-25)26-14-6-7-19(17-26)22(27)24-23(12-13-23)20-8-4-3-5-9-20/h3-5,8-9,18-19,21H,6-7,10-17H2,1-2H3,(H,24,27)/p+2/t19-/m0/s1