[3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [3-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-yl-methanone Formula: C18H29N3O+2 MolecularWeight: 303.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=CC(=C2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=CC(=C2)C(=O)N3CC[NH2+]CC3

InChI

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