(3S)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(1H-indol-4-ylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(1H-indol-4-ylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C23H36N4O+2 MolecularWeight: 384.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=C4C=CNC4=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=C4C=CNC4=CC=C3

InChI

InChI=1S/C23H34N4O/c1-17(2)26-13-9-20(10-14-26)27-12-4-6-19(16-27)23(28)25-15-18-5-3-7-22-21(18)8-11-24-22/h3,5,7-8,11,17,19-20,24H,4,6,9-10,12-16H2,1-2H3,(H,25,28)/p+2/t19-/m0/s1