N-[(3-methoxyphenyl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)aniline

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)aniline Openeye Name: N-[(3-methoxyphenyl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)aniline CAS Name: N-[(3-methoxyphenyl)methyl]-4-[2-(1-piperidin-1-iumyl)ethyl]aniline IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)aniline Traditional Name: m-anisyl-[4-(2-piperidin-1-ium-1-ylethyl)phenyl]amine Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=CC=C(C=C2)CC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=CC=C(C=C2)CC[NH+]3CCCCC3

InChI

InChI=1S/C21H28N2O/c1-24-21-7-5-6-19(16-21)17-22-20-10-8-18(9-11-20)12-15-23-13-3-2-4-14-23/h5-11,16,22H,2-4,12-15,17H2,1H3/p+1