(2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-isopropyl-6-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-isopropyl-6-methyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C22H32N4O+2 MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H30N4O/c1-16(2)19-9-7-8-17(3)21(19)24-22(27)18(4)25-12-14-26(15-13-25)20-10-5-6-11-23-20/h5-11,16,18H,12-15H2,1-4H3,(H,24,27)/p+2/t18-/m0/s1