N,N-diethyl-4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline

Systemtic Name: N,N-diethyl-4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline Openeye Name: N,N-diethyl-4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline CAS Name: N,N-diethyl-4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline IUPAC Name: N,N-diethyl-4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline Traditional Name: diethyl-[4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]amine Formula: C17H30N3+ MolecularWeight: 276.4402

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCCN(CC2)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCCN(CC2)C

InChI

InChI=1S/C17H29N3/c1-4-20(5-2)17-9-7-16(8-10-17)15-19-12-6-11-18(3)13-14-19/h7-10H,4-6,11-15H2,1-3H3/p+1