3-[(3R)-1-[2-(azepan-1-ium-1-yl)ethanoyl]piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[2-(azepan-1-ium-1-yl)ethanoyl]piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[2-(azepan-1-ium-1-yl)acetyl]-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[2-(1-azepan-1-iumyl)-1-oxoethyl]-3-piperidinyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-[2-(azepan-1-ium-1-yl)acetyl]piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[2-(azepan-1-ium-1-yl)acetyl]-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H40N4O2+2 MolecularWeight: 380.5679

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)C[NH+]3CCCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCCN(C2)C(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C21H38N4O2/c1-22-13-15-24(16-14-22)20(26)9-8-19-7-6-12-25(17-19)21(27)18-23-10-4-2-3-5-11-23/h19H,2-18H2,1H3/p+2/t19-/m1/s1