4-[4-methyl-4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-4-ium-1-yl]aniline

Systemtic Name: 4-[4-methyl-4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-methyl-4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-methyl-4-[3-(1-pyrrolidinyl)propyl]-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-methyl-4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-methyl-4-(3-pyrrolidinopropyl)-1,4-diazepan-4-ium-1-yl]phenyl]amine Formula: C19H33N4+ MolecularWeight: 317.49212

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCN(CC1)C2=CC=C(C=C2)N)CCCN3CCCC3

Isomeric SMILES

C[N+]1(CCCN(CC1)C2=CC=C(C=C2)N)CCCN3CCCC3

InChI

InChI=1S/C19H33N4/c1-23(15-4-12-21-10-2-3-11-21)16-5-13-22(14-17-23)19-8-6-18(20)7-9-19/h6-9H,2-5,10-17,20H2,1H3/q+1