(4-methylpiperidin-1-yl)-[4-(piperazin-4-ium-1-ylmethyl)phenyl]methanone

Systemtic Name: (4-methylpiperidin-1-yl)-[4-(piperazin-4-ium-1-ylmethyl)phenyl]methanone Openeye Name: (4-methyl-1-piperidyl)-[4-(piperazin-4-ium-1-ylmethyl)phenyl]methanone CAS Name: (4-methyl-1-piperidinyl)-[4-(1-piperazin-4-iumylmethyl)phenyl]methanone IUPAC Name: (4-methylpiperidin-1-yl)-[4-(piperazin-4-ium-1-ylmethyl)phenyl]methanone Traditional Name: (4-methylpiperidino)-[4-(piperazin-4-ium-1-ylmethyl)phenyl]methanone Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CC[NH2+]CC3

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CC[NH2+]CC3

InChI

InChI=1S/C18H27N3O/c1-15-6-10-21(11-7-15)18(22)17-4-2-16(3-5-17)14-20-12-8-19-9-13-20/h2-5,15,19H,6-14H2,1H3/p+1