N-[2,6-di(propan-2-yl)phenyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2,6-diisopropylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(2,6-diisopropylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C24H36N4O+2 MolecularWeight: 396.56884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C24H34N4O/c1-18(2)20-8-7-9-21(19(3)4)24(20)26-23(29)11-13-27-14-16-28(17-15-27)22-10-5-6-12-25-22/h5-10,12,18-19H,11,13-17H2,1-4H3,(H,26,29)/p+2