N-methyl-1-phenyl-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-ium-1-ylidene]methanamine

Systemtic Name: N-methyl-1-phenyl-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-ium-1-ylidene]methanamine Openeye Name: N-methyl-1-phenyl-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-ium-1-ylidene]methanamine CAS Name: N-methyl-1-phenyl-1-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperazin-1-iumylidene]methanamine IUPAC Name: N-methyl-1-phenyl-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-ium-1-ylidene]methanamine Traditional Name: methyl-[phenyl-[4-(2-pyrrolidinoethyl)piperazin-1-ium-1-ylidene]methyl]amine Formula: C18H29N4+ MolecularWeight: 301.44966

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=[N+]1CCN(CC1)CCN2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CNC(=[N+]1CCN(CC1)CCN2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H28N4/c1-19-18(17-7-3-2-4-8-17)22-15-13-21(14-16-22)12-11-20-9-5-6-10-20/h2-4,7-8H,5-6,9-16H2,1H3/p+1