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

Systemtic Name: [4-(azepan-1-ium-1-ylmethyl)phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [4-(azepan-1-ium-1-ylmethyl)phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [4-(1-azepan-1-iumylmethyl)phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [4-(azepan-1-ium-1-ylmethyl)phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [4-(azepan-1-ium-1-ylmethyl)phenyl]-piperazin-4-ium-1-yl-methanone Formula: C18H29N3O+2 MolecularWeight: 303.44236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C18H27N3O/c22-18(21-13-9-19-10-14-21)17-7-5-16(6-8-17)15-20-11-3-1-2-4-12-20/h5-8,19H,1-4,9-15H2/p+2