6-[(3S)-3-methyl-4-propan-2-yl-piperazin-4-ium-1-yl]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(3S)-3-methyl-4-propan-2-yl-piperazin-4-ium-1-yl]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3S)-4-isopropyl-3-methyl-piperazin-4-ium-1-yl]-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(3S)-3-methyl-4-propan-2-yl-1-piperazin-4-iumyl]-N-[3-(2-pyridinyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3S)-3-methyl-4-propan-2-ylpiperazin-4-ium-1-yl]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3S)-4-isopropyl-3-methyl-piperazin-4-ium-1-yl]-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide Formula: C22H33N5O+2 MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C(C)C)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

Isomeric SMILES

C[C@H]1CN(CC[NH+]1C(C)C)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

InChI

InChI=1S/C22H31N5O/c1-17(2)27-14-13-26(16-18(27)3)21-10-9-19(15-25-21)22(28)24-12-6-8-20-7-4-5-11-23-20/h4-5,7,9-11,15,17-18H,6,8,12-14,16H2,1-3H3,(H,24,28)/p+2/t18-/m0/s1