N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H32N5O+3 MolecularWeight: 334.47958

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H29N5O/c1-2-21-9-6-16(7-10-21)20-18(24)15-22-11-13-23(14-12-22)17-5-3-4-8-19-17/h3-5,8,16H,2,6-7,9-15H2,1H3,(H,20,24)/p+3